phenyl 5-[(2,5-dihydroxyphenyl)methylideneamino]-2-hydroxybenzoate

C20H15NO5 — CID 135492530

IUPACphenyl 5-[(2,5-dihydroxyphenyl)methylideneamino]-2-hydroxybenzoate
SMILESO=C(Oc1ccccc1)c1cc(/N=C/c2cc(O)ccc2O)ccc1O
InChIInChI=1S/C20H15NO5/c22-15-7-9-18(23)13(10-15)12-21-14-6-8-19(24)17(11-14)20(25)26-16-4-2-1-3-5-16/h1-12,22-24H/b21-12+
InChIKeyGPLRYQZLEFAVNT-CIAFOILYSA-N
MW349.34 g/mol
LogP3.77
Rot. Bonds4

About phenyl 5-[(2,5-dihydroxyphenyl)methylideneamino]-2-hydroxybenzoate

phenyl 5-[(2,5-dihydroxyphenyl)methylideneamino]-2-hydroxybenzoate (PubChem CID 135492530) has the molecular formula C20H15NO5 and a molecular weight of 349.34 g/mol. Its IUPAC name is phenyl 5-[(2,5-dihydroxyphenyl)methylideneamino]-2-hydroxybenzoate.

Molecular Properties

Compound Namephenyl 5-[(2,5-dihydroxyphenyl)methylideneamino]-2-hydroxybenzoate
PubChem CID135492530
Molecular FormulaC20H15NO5
Molecular Weight349.34 g/mol
Exact Mass349.10
IUPAC Namephenyl 5-[(2,5-dihydroxyphenyl)methylideneamino]-2-hydroxybenzoate
SMILESO=C(Oc1ccccc1)c1cc(/N=C/c2cc(O)ccc2O)ccc1O
InChIInChI=1S/C20H15NO5/c22-15-7-9-18(23)13(10-15)12-21-14-6-8-19(24)17(11-14)20(25)26-16-4-2-1-3-5-16/h1-12,22-24H/b21-12+
InChIKeyGPLRYQZLEFAVNT-CIAFOILYSA-N
XLogP3.77
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

diphenyl 4,6-dihydroxybenzene-1,3-dicarboxylate
CID 154114345
benzene-1,3-diol;diphenyl benzene-1,2-dicarboxylate
CID 174808310
2-[5-[(2,5-dihydroxyphenyl)methylideneamino]-2-hydroxyphenyl]-N-phenylmethoxyacetamide
CID 135464283
5-[(2-chlorophenyl)methylideneamino]-2-hydroxybenzoic acid
CID 17384577
(3-hydroxyphenyl) benzoate;phenyl 2-hydroxybenzoate
CID 66771976
benzene-1,4-diol;tris(2-hydroxybenzoic acid);phenyl 2-hydroxybenzoate
CID 161221289
2-[(3-methylphenyl)iminomethyl]benzene-1,4-diol
CID 173347602
formaldehyde;phenyl 2-hydroxybenzoate
CID 70193884
4-methoxy-2-[(4-phenoxyphenyl)iminomethyl]phenol
CID 135681255
[4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]-phenylmethanone
CID 177256442
[3-hydroxy-4-(phenyliminomethyl)phenyl] prop-2-enoate
CID 136822877
2-[(4-phenoxyphenyl)iminomethyl]phenol
CID 724452

Frequently Asked Questions

What is the IUPAC name of phenyl 5-[(2,5-dihydroxyphenyl)methylideneamino]-2-hydroxybenzoate?
The IUPAC name of phenyl 5-[(2,5-dihydroxyphenyl)methylideneamino]-2-hydroxybenzoate (CID 135492530) is phenyl 5-[(2,5-dihydroxyphenyl)methylideneamino]-2-hydroxybenzoate.
What is the SMILES notation for phenyl 5-[(2,5-dihydroxyphenyl)methylideneamino]-2-hydroxybenzoate?
The canonical SMILES for phenyl 5-[(2,5-dihydroxyphenyl)methylideneamino]-2-hydroxybenzoate is O=C(Oc1ccccc1)c1cc(/N=C/c2cc(O)ccc2O)ccc1O.
What is the InChIKey of phenyl 5-[(2,5-dihydroxyphenyl)methylideneamino]-2-hydroxybenzoate?
The InChIKey is GPLRYQZLEFAVNT-CIAFOILYSA-N. The full InChI is InChI=1S/C20H15NO5/c22-15-7-9-18(23)13(10-15)12-21-14-6-8-19(24)17(11-14)20(25)26-16-4-2-1-3-5-16/h1-12,22-24H/b21-12+.
What are the key properties of phenyl 5-[(2,5-dihydroxyphenyl)methylideneamino]-2-hydroxybenzoate?
phenyl 5-[(2,5-dihydroxyphenyl)methylideneamino]-2-hydroxybenzoate has a molecular weight of 349.34 g/mol, XLogP of 3.77, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 5-[(2,5-dihydroxyphenyl)methylideneamino]-2-hydroxybenzoate is sourced from PubChem (CID 135492530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).